data_crystal

_audit_creation_method 'AiiDA-DDEC plugin'

_cell_length_a        13.51423
_cell_length_b        24.43307
_cell_length_c        18.91688

_cell_angle_alpha     90.03414
_cell_angle_beta     90.02816
_cell_angle_gamma     90.03127

_symmetry_space_group_name_Hall 'P 1'
_symmetry_space_group_name_H-M  'P 1'

loop_
_symmetry_equiv_pos_as_xyz
 'x,y,z'

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_charge
Al         Al      0.00073  -0.00104   0.00029   1.68870
Al         Al      0.25046   0.00013   0.00006   1.68345
Al         Al      0.50063  -0.00010   0.00019   1.68501
Al         Al      0.75054   0.99844  -0.00058   1.68322
Al         Al     -0.00013   0.00023   0.49987   1.68643
Al         Al      0.25014   0.00033   0.49994   1.68557
Al         Al      0.49994   0.00019   0.49984   1.68901
Al         Al      0.75008   0.00003   0.49980   1.68821
Al         Al     -0.00051   0.50002  -0.00014   1.68146
Al         Al      0.24955   0.49921  -0.00005   1.68698
Al         Al      0.49971   0.49960   0.00010   1.68269
Al         Al      0.74962   0.50034   0.00013   1.68352
Al         Al      0.00165   0.50003   0.50010   1.68317
Al         Al      0.25172   0.49896   0.49928   1.68291
Al         Al      0.50177   0.50004   0.50004   1.68487
Al         Al      0.75173   0.50087   0.49995   1.68233
Cu         Cu      0.25186   0.25017   0.24831   0.68257
Cu         Cu      0.00408   0.25005   0.25221   0.64283
Cu         Cu      0.75125   0.24983   0.24982   0.60270
Cu         Cu      0.49933   0.24914   0.24802   0.64776
Cu         Cu      0.24945   0.25047   0.74997   0.64711
Cu         Cu      0.99678   0.24994   0.74948   0.64156
Cu         Cu      0.74980   0.24923   0.75028   0.63922
Cu         Cu      0.49672   0.25007   0.74803   0.65254
Cu         Cu      0.25353   0.74980   0.24951   0.64516
Cu         Cu      0.00479   0.75019   0.25110   0.68186
Cu         Cu      0.75643   0.74954   0.24684   0.67824
Cu         Cu      0.50781   0.75006   0.25422   0.65082
Cu         Cu      0.25049   0.75044   0.75033   0.60274
Cu         Cu      0.00023   0.74883   0.74925   0.60432
Cu         Cu      0.74879   0.74969   0.75046   0.64730
Cu         Cu      0.50145   0.75011   0.75097   0.63964
H          H       0.28502   0.14071   0.15041   0.12405
H          H       0.96378   0.35768   0.15377   0.11779
H          H       0.21506   0.14469   0.35281   0.12833
H          H       0.53824   0.35663   0.34940   0.11938
H          H       0.21819   0.36279   0.34185   0.12133
H          H       0.53553   0.14044   0.34584   0.11903
H          H       0.28431   0.35762   0.14668   0.12550
H          H       0.96451   0.14054   0.15617   0.11788
H          H       0.12479   0.01610   0.91027   0.42997
H          H       0.37514   0.98141   0.08814   0.42805
H          H       0.18392   0.26774   0.38349   0.38994
H          H       0.07008   0.26517   0.39189   0.40010
H          H       0.43084   0.24627   0.09985   0.40992
H          H       0.31621   0.24583   0.10305   0.40709
H          H       0.78849   0.14134   0.15363   0.12041
H          H       0.46602   0.35677   0.14885   0.12675
H          H       0.71545   0.14081   0.34482   0.12023
H          H       0.03494   0.36165   0.34525   0.12188
H          H       0.71458   0.35840   0.34661   0.12051
H          H       0.03592   0.14385   0.35388   0.13006
H          H       0.78658   0.35832   0.15339   0.12047
H          H       0.46784   0.13936   0.15222   0.12539
H          H       0.62549   0.01762   0.91092   0.42958
H          H       0.87459   0.01556   0.08818   0.42885
H          H       0.28488   0.14132   0.65308   0.12540
H          H       0.96279   0.35546   0.64679   0.12444
H          H       0.21393   0.14303   0.85163   0.11945
H          H       0.53514   0.35920   0.84519   0.11988
H          H       0.21460   0.35958   0.84822   0.12477
H          H       0.53445   0.14202   0.84716   0.11954
H          H       0.28337   0.35929   0.65443   0.12397
H          H       0.96447   0.13826   0.65583   0.12146
H          H       0.12493   0.98325   0.41096   0.43085
H          H       0.37503   0.98785   0.59141   0.43285
H          H       0.42881   0.25975   0.60377   0.40708
H          H       0.31854   0.24211   0.60517   0.40494
H          H       0.78377   0.13673   0.66102   0.11988
H          H       0.46638   0.36026   0.65199   0.12517
H          H       0.71446   0.14148   0.84967   0.11937
H          H       0.03335   0.36010   0.84544   0.12324
H          H       0.71285   0.35848   0.84780   0.11842
H          H       0.03501   0.14209   0.84938   0.11870
H          H       0.78693   0.35424   0.64892   0.12535
H          H       0.46398   0.14260   0.64758   0.12400
H          H       0.62495   0.01465   0.40953   0.43110
H          H       0.87503   0.98462   0.59006   0.43037
H          H       0.81048   0.23735   0.61127   0.39995
H          H       0.92451   0.23207   0.61059   0.39781
H          H       0.28826   0.64216   0.14853   0.11921
H          H       0.96817   0.85751   0.15113   0.12896
H          H       0.21679   0.64025   0.34123   0.11909
H          H       0.53672   0.85976   0.35065   0.12248
H          H       0.21613   0.85889   0.34300   0.12171
H          H       0.53700   0.64317   0.35551   0.12794
H          H       0.28888   0.85777   0.15002   0.11819
H          H       0.96804   0.63881   0.15785   0.12167
H          H       0.12483   0.51784   0.91106   0.42867
H          H       0.37478   0.51443   0.08932   0.42829
H          H       0.07419   0.74518   0.39932   0.40636
H          H       0.18827   0.75188   0.39825   0.40698
H          H       0.78563   0.63781   0.15165   0.12159
H          H       0.46669   0.85938   0.16004   0.11810
H          H       0.71876   0.64236   0.34855   0.12677
H          H       0.03728   0.85813   0.35123   0.11942
H          H       0.71686   0.86046   0.34132   0.12238
H          H       0.03959   0.64254   0.35056   0.11824
H          H       0.78616   0.85441   0.14031   0.12898
H          H       0.46524   0.64214   0.15647   0.11873
H          H       0.62496   0.48244   0.91132   0.42901
H          H       0.87472   0.47994   0.08723   0.42716
H          H       0.68916   0.75759   0.38932   0.39778
H          H       0.57642   0.75805   0.40418   0.41044
H          H       0.94149   0.73836   0.10988   0.39906
H          H       0.82766   0.73316   0.10417   0.39970
H          H       0.28900   0.64206   0.65317   0.12000
H          H       0.96413   0.85587   0.64757   0.12128
H          H       0.21419   0.64378   0.85082   0.12036
H          H       0.53526   0.86009   0.84634   0.12104
H          H       0.21490   0.86049   0.84520   0.12416
H          H       0.53476   0.64150   0.84886   0.12884
H          H       0.28445   0.85911   0.65396   0.12130
H          H       0.96852   0.63825   0.65402   0.12690
H          H       0.12624   0.52000   0.41263   0.42828
H          H       0.37532   0.51564   0.58842   0.42841
H          H       0.78476   0.64007   0.65327   0.12467
H          H       0.46462   0.85735   0.64966   0.11973
H          H       0.71496   0.64477   0.85414   0.12696
H          H       0.03656   0.85661   0.85027   0.12448
H          H       0.71659   0.86202   0.84060   0.12287
H          H       0.03523   0.63972   0.84409   0.11998
H          H       0.78513   0.85746   0.65035   0.11843
H          H       0.46426   0.64058   0.65397   0.11833
H          H       0.62596   0.48688   0.40993   0.43023
H          H       0.87559   0.47982   0.58729   0.42839
H          H       0.67269   0.77117   0.89174   0.40177
H          H       0.56500   0.74960   0.89304   0.40577
C          C       0.20725   0.14933   0.15846  -0.00724
C          C       0.04205   0.34921   0.15908  -0.00148
C          C       0.29309   0.15195   0.34389   0.00596
C          C       0.46011   0.34922   0.34102  -0.00524
C          C       0.29581   0.35211   0.33775  -0.01444
C          C       0.45758   0.14985   0.34047  -0.00908
C          C       0.20659   0.34923   0.15548   0.00375
C          C       0.04278   0.14912   0.16142  -0.00142
C          C       0.12417   0.12084   0.13319  -0.15773
C          C       0.12306   0.37715   0.12995  -0.16553
C          C       0.37533   0.12303   0.36981  -0.16321
C          C       0.37868   0.37905   0.36624  -0.15888
C          C       0.12402   0.07354   0.08559   0.65169
C          C       0.12192   0.42389   0.08172   0.65894
C          C       0.37521   0.07617   0.41804   0.65323
C          C       0.37933   0.42602   0.41446   0.65504
C          C       0.71024   0.14949   0.15999  -0.00209
C          C       0.54395   0.34863   0.15696   0.00347
C          C       0.79358   0.15000   0.34012  -0.00657
C          C       0.95723   0.35166   0.33954  -0.01376
C          C       0.79282   0.35036   0.33999  -0.00270
C          C       0.95807   0.15153   0.34462   0.00780
C          C       0.70849   0.34949   0.15926  -0.00363
C          C       0.54568   0.14851   0.15907  -0.00159
C          C       0.62885   0.12061   0.13292  -0.15620
C          C       0.62649   0.37705   0.13091  -0.15592
C          C       0.87516   0.12280   0.36973  -0.16363
C          C       0.87448   0.37944   0.36640  -0.15308
C          C       0.62944   0.07340   0.08506   0.65316
C          C       0.62635   0.42410   0.08294   0.65010
C          C       0.87483   0.07601   0.41809   0.65397
C          C       0.87461   0.42672   0.41420   0.65152
C          C       0.20670   0.14959   0.65986  -0.00462
C          C       0.04080   0.34829   0.65593   0.00312
C          C       0.29187   0.15126   0.84350  -0.00350
C          C       0.45695   0.35069   0.83918  -0.00435
C          C       0.29241   0.35074   0.84065  -0.00068
C          C       0.45634   0.15080   0.84134  -0.00301
C          C       0.20536   0.35003   0.65970   0.00004
C          C       0.04228   0.14823   0.66115  -0.01368
C          C       0.12482   0.12052   0.63373  -0.15561
C          C       0.12343   0.37710   0.63041  -0.16688
C          C       0.37457   0.12305   0.86994  -0.16326
C          C       0.37522   0.37902   0.86679  -0.16026
C          C       0.12502   0.07356   0.58526   0.65044
C          C       0.12433   0.42378   0.58186   0.65262
C          C       0.37512   0.07620   0.91816   0.65688
C          C       0.37526   0.42608   0.91474   0.65637
C          C       0.70595   0.14708   0.66407  -0.01305
C          C       0.54406   0.35022   0.65785  -0.00648
C          C       0.79247   0.15006   0.84277  -0.00123
C          C       0.95542   0.35097   0.83922   0.00001
C          C       0.79093   0.35032   0.84048  -0.00276
C          C       0.95692   0.15046   0.84262  -0.00074
C          C       0.70854   0.34741   0.65663   0.00310
C          C       0.54174   0.14982   0.65770  -0.00061
C          C       0.62433   0.12015   0.63412  -0.15618
C          C       0.62760   0.37686   0.63005  -0.16070
C          C       0.87497   0.12204   0.86975  -0.15830
C          C       0.87329   0.37905   0.86655  -0.15638
C          C       0.62492   0.07327   0.58570   0.65158
C          C       0.62917   0.42401   0.58211   0.65124
C          C       0.87522   0.07444   0.91674   0.65616
C          C       0.87407   0.42637   0.91412   0.65198
C          C       0.21039   0.64996   0.15749  -0.00487
C          C       0.04632   0.84926   0.15794   0.00655
C          C       0.29514   0.64915   0.33790  -0.00578
C          C       0.45910   0.85089   0.34213  -0.00327
C          C       0.29459   0.85065   0.33850  -0.00598
C          C       0.45946   0.65080   0.34494   0.00371
C          C       0.21095   0.84929   0.15756  -0.00420
C          C       0.04604   0.64854   0.16181  -0.01593
C          C       0.12755   0.62088   0.13288  -0.15449
C          C       0.12856   0.87723   0.13037  -0.16473
C          C       0.37587   0.62180   0.36839  -0.16342
C          C       0.37558   0.87922   0.36687  -0.16246
C          C       0.12628   0.57350   0.08538   0.65135
C          C       0.12863   0.92389   0.08200   0.65760
C          C       0.37493   0.57489   0.41655   0.65261
C          C       0.37480   0.92645   0.41457   0.65489
C          C       0.70824   0.64789   0.15903  -0.01339
C          C       0.54487   0.84984   0.16212  -0.00765
C          C       0.79693   0.65072   0.34199   0.00384
C          C       0.95948   0.85033   0.34203  -0.00137
C          C       0.79506   0.85126   0.33725  -0.00933
C          C       0.96159   0.65090   0.34313  -0.00597
C          C       0.70889   0.84736   0.15238   0.00583
C          C       0.54382   0.64979   0.16178  -0.00581
C          C       0.62396   0.62053   0.13352  -0.15950
C          C       0.62503   0.87657   0.12987  -0.16621
C          C       0.87907   0.62285   0.36993  -0.16886
C          C       0.87632   0.87918   0.36645  -0.16370
C          C       0.62228   0.57362   0.08537   0.65556
C          C       0.62360   0.92354   0.08196   0.65245
C          C       0.87920   0.57620   0.41830   0.65721
C          C       0.87536   0.92637   0.41424   0.65558
C          C       0.21070   0.64983   0.66008  -0.00431
C          C       0.04209   0.84797   0.65599  -0.00159
C          C       0.29235   0.65172   0.84350  -0.00386
C          C       0.45732   0.85131   0.83942  -0.00574
C          C       0.29284   0.85157   0.83865  -0.00134
C          C       0.45685   0.65074   0.84264   0.00152
C          C       0.20649   0.84964   0.65916  -0.00198
C          C       0.04620   0.64800   0.66050  -0.00063
C          C       0.12934   0.62064   0.63340  -0.15507
C          C       0.12444   0.87683   0.63033  -0.15662
C          C       0.37433   0.62317   0.87026  -0.15544
C          C       0.37501   0.87968   0.86587  -0.15138
C          C       0.12972   0.57344   0.58539   0.65261
C          C       0.12480   0.92418   0.58281   0.65293
C          C       0.37461   0.57583   0.91800   0.65036
C          C       0.37506   0.92668   0.91422   0.64952
C          C       0.70686   0.64898   0.66026  -0.00266
C          C       0.54262   0.84876   0.65672  -0.00287
C          C       0.79286   0.65182   0.84438   0.00966
C          C       0.95860   0.84899   0.84128   0.00107
C          C       0.79432   0.85149   0.83691  -0.01268
C          C       0.95728   0.64928   0.83946  -0.00571
C          C       0.70710   0.84882   0.65708  -0.00348
C          C       0.54236   0.64910   0.66059  -0.00693
C          C       0.62441   0.62076   0.63343  -0.15864
C          C       0.62497   0.87678   0.62943  -0.16441
C          C       0.87531   0.62275   0.86951  -0.16003
C          C       0.87650   0.87849   0.86604  -0.15310
C          C       0.62461   0.57374   0.58536   0.65690
C          C       0.62505   0.92390   0.58164   0.65804
C          C       0.87520   0.57611   0.91817   0.65219
C          C       0.87567   0.92525   0.91479   0.65078
N          N       0.07569   0.19185   0.19966  -0.19863
N          N       0.17665   0.30711   0.19587  -0.20047
N          N       0.42603   0.19208   0.30090  -0.20435
N          N       0.32644   0.30872   0.29964  -0.20334
N          N       0.42757   0.30700   0.30174  -0.19288
N          N       0.32481   0.19350   0.30319  -0.19619
N          N       0.07543   0.30719   0.19824  -0.20470
N          N       0.17688   0.19205   0.19768  -0.19694
N          N       0.57604   0.19159   0.19773  -0.19957
N          N       0.67644   0.30706   0.19838  -0.19856
N          N       0.92741   0.19346   0.30420  -0.19294
N          N       0.82530   0.30764   0.30154  -0.19618
N          N       0.92659   0.30835   0.30131  -0.20129
N          N       0.82611   0.19243   0.30119  -0.20175
N          N       0.57510   0.30644   0.19679  -0.19977
N          N       0.67739   0.19212   0.19839  -0.19751
N          N       0.07325   0.19154   0.69935  -0.20456
N          N       0.17335   0.30759   0.69877  -0.20763
N          N       0.42409   0.19286   0.80178  -0.19661
N          N       0.32330   0.30819   0.80143  -0.19578
N          N       0.42454   0.30813   0.80043  -0.19930
N          N       0.32284   0.19317   0.80314  -0.19409
N          N       0.07202   0.30647   0.69635  -0.19524
N          N       0.17457   0.19238   0.69847  -0.20064
N          N       0.57264   0.19214   0.69750  -0.19741
N          N       0.67518   0.30554   0.69617  -0.19891
N          N       0.92489   0.19271   0.80326  -0.19872
N          N       0.82243   0.30772   0.80152  -0.19563
N          N       0.92368   0.30814   0.80071  -0.19466
N          N       0.82368   0.19245   0.80342  -0.19622
N          N       0.57385   0.30727   0.69704  -0.20569
N          N       0.67374   0.19045   0.70162  -0.21171
N          N       0.07853   0.69164   0.19971  -0.20430
N          N       0.17959   0.80727   0.19751  -0.20197
N          N       0.42995   0.69300   0.30461  -0.19490
N          N       0.32815   0.80772   0.30085  -0.20084
N          N       0.42944   0.80790   0.30310  -0.19873
N          N       0.32876   0.69199   0.30013  -0.20724
N          N       0.07826   0.80717   0.19765  -0.19669
N          N       0.17965   0.69238   0.19705  -0.19163
N          N       0.57840   0.69204   0.20014  -0.19348
N          N       0.67996   0.80578   0.19394  -0.19102
N          N       0.93034   0.69301   0.30328  -0.20319
N          N       0.82811   0.80832   0.29935  -0.20413
N          N       0.92929   0.80781   0.30241  -0.19556
N          N       0.82904   0.69290   0.30246  -0.20342
N          N       0.57909   0.80743   0.20028  -0.20622
N          N       0.67957   0.69096   0.19830  -0.19613
N          N       0.07650   0.69102   0.69935  -0.19582
N          N       0.17477   0.80707   0.69812  -0.19454
N          N       0.42569   0.69340   0.80348  -0.20005
N          N       0.32459   0.80885   0.79987  -0.19942
N          N       0.42589   0.80856   0.80050  -0.20533
N          N       0.32435   0.69393   0.80399  -0.19862
N          N       0.07349   0.80596   0.69605  -0.19565
N          N       0.17782   0.69216   0.69902  -0.19647
N          N       0.57426   0.69159   0.69967  -0.19571
N          N       0.67536   0.80677   0.69694  -0.19917
N          N       0.92532   0.69162   0.80014  -0.20325
N          N       0.82568   0.80823   0.79885  -0.20532
N          N       0.92688   0.80666   0.80170  -0.19377
N          N       0.82415   0.69331   0.80348  -0.19413
N          N       0.57412   0.80674   0.69665  -0.19468
N          N       0.67551   0.69151   0.69940  -0.19339
O          O       0.37562   0.00007   0.04294  -0.99878
O          O       0.12485   0.24992   0.36496  -0.78021
O          O       0.37520   0.25005   0.13204  -0.79713
O          O       0.20868   0.05543   0.06655  -0.60452
O          O       0.03690   0.44227   0.06310  -0.61432
O          O       0.29073   0.05806   0.43738  -0.59759
O          O       0.46420   0.44453   0.43332  -0.61196
O          O       0.29501   0.44412   0.43384  -0.59575
O          O       0.46007   0.05752   0.43662  -0.61593
O          O       0.20605   0.44215   0.06231  -0.59715
O          O       0.03911   0.05482   0.06723  -0.62156
O          O       0.12527   0.00040   0.95727  -1.00218
O          O       0.87542   0.99750   0.04252  -0.99981
O          O       0.71453   0.05512   0.06634  -0.62045
O          O       0.54170   0.44192   0.06356  -0.60349
O          O       0.78997   0.05755   0.43679  -0.61413
O          O       0.95931   0.44467   0.43325  -0.60398
O          O       0.78971   0.44525   0.43254  -0.62017
O          O       0.95929   0.05798   0.43747  -0.59590
O          O       0.71140   0.44289   0.06526  -0.61946
O          O       0.54486   0.05517   0.06631  -0.60452
O          O       0.62527   0.00017   0.95690  -1.00112
O          O       0.37497  -0.00035   0.54255  -1.00466
O          O       0.37496   0.24997   0.63543  -0.78908
O          O       0.20961   0.05544   0.56623  -0.59923
O          O       0.03967   0.44223   0.56275  -0.61230
O          O       0.29038   0.05785   0.93717  -0.60767
O          O       0.46008   0.44467   0.93355  -0.61385
O          O       0.29089   0.44434   0.93382  -0.59503
O          O       0.45983   0.05791   0.93718  -0.60696
O          O       0.20887   0.44183   0.56255  -0.59434
O          O       0.04045   0.05537   0.56617  -0.59923
O          O       0.12504   0.00004   0.45741  -1.00043
O          O       0.87500  -0.00040   0.54266  -1.00273
O          O       0.87017   0.25003   0.63507  -0.77974
O          O       0.70974   0.05521   0.56698  -0.60977
O          O       0.54484   0.44231   0.56288  -0.60536
O          O       0.79028   0.05524   0.93396  -0.61917
O          O       0.95883   0.44463   0.93268  -0.60362
O          O       0.78932   0.44503   0.93288  -0.62509
O          O       0.95990   0.05635   0.93609  -0.61804
O          O       0.71447   0.44226   0.56394  -0.61987
O          O       0.54016   0.05522   0.56657  -0.61046
O          O       0.62502   0.00033   0.45727  -1.00240
O          O       0.37468   0.49766   0.04285  -0.99923
O          O       0.13033   0.75008   0.36786  -0.79676
O          O       0.21096   0.55478   0.06673  -0.62241
O          O       0.04436   0.94201   0.06255  -0.59765
O          O       0.28993   0.55561   0.43377  -0.62396
O          O       0.45934   0.94471   0.43364  -0.60479
O          O       0.28981   0.94486   0.43308  -0.62100
O          O       0.45945   0.55771   0.43711  -0.60546
O          O       0.21350   0.94244   0.06320  -0.61627
O          O       0.04139   0.55544   0.06675  -0.60323
O          O       0.12470   0.50034   0.95701  -1.00005
O          O       0.87463   0.49988   0.04292  -0.99836
O          O       0.62515   0.74988   0.36793  -0.79039
O          O       0.87996   0.75011   0.13191  -0.78874
O          O       0.70625   0.55528   0.06576  -0.59741
O          O       0.53879   0.94215   0.06353  -0.61282
O          O       0.79491   0.55800   0.43758  -0.59467
O          O       0.96020   0.94492   0.43321  -0.62418
O          O       0.79068   0.94462   0.43294  -0.60754
O          O       0.96417   0.55783   0.43724  -0.61587
O          O       0.70777   0.94196   0.06246  -0.59799
O          O       0.53732   0.55522   0.06663  -0.61271
O          O       0.62483   0.50008   0.95723  -0.99967
O          O       0.37619   0.49793   0.54254  -1.00006
O          O       0.21472   0.55519   0.56647  -0.62289
O          O       0.03994   0.94243   0.56406  -0.61551
O          O       0.28979   0.55701   0.93611  -0.62078
O          O       0.45983   0.94469   0.93320  -0.61004
O          O       0.29027   0.94488   0.93280  -0.60791
O          O       0.45941   0.55794   0.93690  -0.60181
O          O       0.20987   0.94267   0.56497  -0.61410
O          O       0.04512   0.55520   0.56675  -0.60229
O          O       0.12635   0.49994   0.45684  -0.99944
O          O       0.87643   0.49998   0.54315  -0.99878
O          O       0.62501   0.74992   0.86463  -0.78318
O          O       0.70899   0.55552   0.56616  -0.59470
O          O       0.54036   0.94237   0.56291  -0.60836
O          O       0.79074   0.55816   0.93760  -0.59174
O          O       0.95972   0.94422   0.93366  -0.59707
O          O       0.79043   0.94235   0.93407  -0.59891
O          O       0.96005   0.55769   0.93697  -0.61223
O          O       0.70982   0.94228   0.56285  -0.60987
O          O       0.53979   0.55515   0.56658  -0.61418
O          O       0.62650   0.50231   0.45715  -1.00053
